4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione

C23H23N3O4 — CID 143421446

IUPAC4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione
SMILESC[C@]1(N2C(=O)c3cccc(Nc4ccc5c(c4)CCC5)c3C2=O)CCC(=O)NC1O
InChIInChI=1S/C23H23N3O4/c1-23(11-10-18(27)25-22(23)30)26-20(28)16-6-3-7-17(19(16)21(26)29)24-15-9-8-13-4-2-5-14(13)12-15/h3,6-9,12,22,24,30H,2,4-5,10-11H2,1H3,(H,25,27)/t22?,23-/m0/s1
InChIKeyRDWARQMBGGLDLI-WCSIJFPASA-N
MW405.45 g/mol
LogP2.50
Rot. Bonds3

About 4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione

4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione (PubChem CID 143421446) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione
PubChem CID143421446
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione
SMILESC[C@]1(N2C(=O)c3cccc(Nc4ccc5c(c4)CCC5)c3C2=O)CCC(=O)NC1O
InChIInChI=1S/C23H23N3O4/c1-23(11-10-18(27)25-22(23)30)26-20(28)16-6-3-7-17(19(16)21(26)29)24-15-9-8-13-4-2-5-14(13)12-15/h3,6-9,12,22,24,30H,2,4-5,10-11H2,1H3,(H,25,27)/t22?,23-/m0/s1
InChIKeyRDWARQMBGGLDLI-WCSIJFPASA-N
XLogP2.50
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione (CID 143421446) is 4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione is C[C@]1(N2C(=O)c3cccc(Nc4ccc5c(c4)CCC5)c3C2=O)CCC(=O)NC1O.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is RDWARQMBGGLDLI-WCSIJFPASA-N. The full InChI is InChI=1S/C23H23N3O4/c1-23(11-10-18(27)25-22(23)30)26-20(28)16-6-3-7-17(19(16)21(26)29)24-15-9-8-13-4-2-5-14(13)12-15/h3,6-9,12,22,24,30H,2,4-5,10-11H2,1H3,(H,25,27)/t22?,23-/m0/s1.
What are the key properties of 4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione?
4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 405.45 g/mol, XLogP of 2.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-ylamino)-2-[(3S)-2-hydroxy-3-methyl-6-oxopiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 143421446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).